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94939-88-5 | Piperidinium, 1-(3-cyclopentyl-3-hydroxypropyl)-1-methyl-, iodide
CAS No: 94939-88-5 Catalog No: AG006QVD MDL No:
Product Description
Catalog Number:
AG006QVD
Chemical Name:
Piperidinium, 1-(3-cyclopentyl-3-hydroxypropyl)-1-methyl-, iodide
CAS Number:
94939-88-5
Molecular Formula:
C14H28INO
Molecular Weight:
353.2827
IUPAC Name:
1-cyclopentyl-3-(1-methylpiperidin-1-ium-1-yl)propan-1-ol;iodide
InChI:
InChI=1S/C14H28NO.HI/c1-15(10-5-2-6-11-15)12-9-14(16)13-7-3-4-8-13;/h13-14,16H,2-12H2,1H3;1H/q+1;/p-1
InChI Key:
BOQYLMYHOVBKKF-UHFFFAOYSA-M
SMILES:
OC(C1CCCC1)CC[N+]1(C)CCCCC1.[I-]
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.288g/mol
Monoisotopic Mass:
353.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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